2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one

Systemtic Name: 2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one Openeye Name: 2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one CAS Name: 2-[[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-6,7-dimethoxy-1H-quinazolin-4-one IUPAC Name: 2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6,7-dimethoxy-1H-quinazolin-4-one Traditional Name: 2-[[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-6,7-dimethoxy-1H-quinazolin-4-one Formula: C17H19N5O3S MolecularWeight: 373.42946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CC2)SCC3=NC(=O)C4=CC(=C(C=C4N3)OC)OC

Isomeric SMILES

CC1=NN=C(N1C2CC2)SCC3=NC(=O)C4=CC(=C(C=C4N3)OC)OC

InChI

InChI=1S/C17H19N5O3S/c1-9-20-21-17(22(9)10-4-5-10)26-8-15-18-12-7-14(25-3)13(24-2)6-11(12)16(23)19-15/h6-7,10H,4-5,8H2,1-3H3,(H,18,19,23)